SCHEMBL2835808

SCHEMBL2835808

c1ccc(-c2ncc(-c3c[nH]c(-c4ccccc4)n3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 16/20 0.56
NPC1 O15118 2/20 0.53
NFKB1 P19838 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2834587 0.92 HPGDS (0.58) HPGDSNPC1NFKB1RAB9ANFKB2
SCHEMBL2843337 0.91 HPGDS (0.48) HPGDSNPC1NFKB1RAB9ANFKB2
SCHEMBL2839475 0.88 HPGDS (0.59) HPGDSNPC1NFKB1RAB9ANFKB2
SCHEMBL2834862 0.86 HPGDS (0.60) HPGDSNPC1NFKB1RAB9ANFKB2
SCHEMBL2837595 0.86 HPGDS (0.60) HPGDSNPC1NFKB1RAB9ANFKB2
SCHEMBL2840954 0.85 HPGDS (0.61) HPGDSNPC1NFKB1RAB9ANFKB2
SCHEMBL528246 0.85 MEN1 (0.46) HPGDSNPC1RAB9ASMN1; SMN2NR1H2
SCHEMBL2838866 0.83 HPGDS (0.47) HPGDSNPC1NFKB1RAB9ANFKB2
SCHEMBL7139559 0.81 HPGDS (0.43) HPGDSNPC1NFKB1RAB9ANFKB2
SCHEMBL17279780 0.81 MEN1 (0.43) NPC1RAB9ASMN1; SMN2NR1H2NR1H3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350059-B1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEM CO (US) 2016-03-23 EP disclosed
US-9126973-B2 Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2015-09-08 US disclosed
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-04-09 US disclosed
US-8536185-B2 Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-09-17 US disclosed
US-8450326-B2 2013-05-28 US disclosed
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-03-28 US disclosed
US-20100075990-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY (US) 2010-03-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100075990-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885NPC1 1268/4885NFKB1 461/4885
US-20130079375-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885NPC1 1268/4885NFKB1 461/4885
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885NPC1 1268/4885NFKB1 461/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.